Phys. Rev. Lett. 90, 086402 (2003) [4 pages]First-Principles Approach to the Electronic Structure of Strongly Correlated Systems: Combining the GW Approximation and Dynamical Mean-Field TheoryReceived 17 July 2002; published 27 February 2003 We propose a dynamical mean-field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean-field theory, which enables one to treat strong interaction effects. It avoids the conceptual problems inherent to conventional “LDA+DMFT,” such as Hubbard interaction parameters and double-counting terms. We apply a simplified version of the approach to the electronic structure of nickel and find encouraging results. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.90.086402
DOI:
10.1103/PhysRevLett.90.086402
PACS:
71.15.–m, 71.10.–w, 71.27.+a
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